CID 5324733

Methyl (2r)-3-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C5H10O3
SMILES
C[C@H](CO)C(=O)OC
InChI
InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey
ATCCIZURPPEVIZ-SCSAIBSYSA-N
Compound name
methyl (2R)-3-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2437
Patents

118.062996 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 123.0
[M+Na]+ 141.052214 130.1
[M-H]- 117.055720 122.3
[M+NH4]+ 136.096819 144.9
[M+K]+ 157.026154 131.0
[M+H-H2O]+ 101.060256 118.9
[M+HCOO]- 163.061197 144.6
[M+CH3COO]- 177.076847 167.5
[M+Na-2H]- 139.037662 127.6
[M]+ 118.06244742 124.3
[M]- 118.06354458 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe